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Chemical ID: 7025203

Chemical ID:

7025203

Name [?]:

(4-butoxyphenyl)-(3,5-dimethyl-1-piperidyl)-methanone

SMILES [?]:

CCCCOc1ccc(cc1)C(=O)N2CC(CC(C2)C)C

InChi [?]:

InChI=1/C18H27NO2/c1-4-5-10-21-17-8-6-16(7-9-17)18(20)19-12-14(2)11-15(3)13-19/h6-9,14-15H,4-5,10-13H2,1-3H3

InChi Info:

AuxInfo=1/0/N:1,20,21,2,3,8,10,7,11,4,17,19,15,18,16,9,6,12,14,13,5/E:(2,3)(6,7)(8,9)(12,13)(14,15)/rA:21cCCCCOCCCCCCCONCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;s15;s16;s17;s14s18;s18;s16;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₇NO₂
All Atoms:	48
Heavy Atoms:	21
Chiral Atoms:	2

ZAP Information [?]

Total:	10.3829
Area:	521.416
Solvation:	-2.65254
Coulombic:	-26.9982

Bond Count [?]

All:	22
Single:	18
Double:	4
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	289.413
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	4.29
LogP (Chemaxon):	3.67

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value